3-[2-[2-[(2-fluorophenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoylamino]propyl-dipropyl-azanium

Systemtic Name: 3-[2-[2-[(2-fluorophenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoylamino]propyl-dipropyl-azanium Openeye Name: 3-[[2-[2-[(2-fluorophenyl)methylene]-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]propyl-dipropyl-ammonium CAS Name: 3-[[2-[2-[(2-fluorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-1-oxoethyl]amino]propyl-dipropylammonium IUPAC Name: 3-[[2-[2-[(2-fluorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]propyl-dipropylazanium Traditional Name: 3-[[2-[2-(2-fluorobenzylidene)-3-keto-1,4-benzoxazin-4-yl]acetyl]amino]propyl-dipropyl-ammonium Formula: C26H33FN3O3+ MolecularWeight: 454.556923

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CCCNC(=O)CN1C2=CC=CC=C2OC(=CC3=CC=CC=C3F)C1=O

Isomeric SMILES

CCC[NH+](CCC)CCCNC(=O)CN1C2=CC=CC=C2OC(=CC3=CC=CC=C3F)C1=O

InChI

InChI=1S/C26H32FN3O3/c1-3-15-29(16-4-2)17-9-14-28-25(31)19-30-22-12-7-8-13-23(22)33-24(26(30)32)18-20-10-5-6-11-21(20)27/h5-8,10-13,18H,3-4,9,14-17,19H2,1-2H3,(H,28,31)/p+1